4-ethenyl-6-(2-methylsulfanylpropan-2-yl)pyrimidine

C10H14N2S — CID 167202885

IUPAC4-ethenyl-6-(2-methylsulfanylpropan-2-yl)pyrimidine
SMILESC=Cc1cc(C(C)(C)SC)ncn1
InChIInChI=1S/C10H14N2S/c1-5-8-6-9(12-7-11-8)10(2,3)13-4/h5-7H,1H2,2-4H3
InChIKeySUJSRJOSBHBDEH-UHFFFAOYSA-N
MW194.30 g/mol
LogP2.72
Rot. Bonds3

About 4-ethenyl-6-(2-methylsulfanylpropan-2-yl)pyrimidine

4-ethenyl-6-(2-methylsulfanylpropan-2-yl)pyrimidine (PubChem CID 167202885) has the molecular formula C10H14N2S and a molecular weight of 194.30 g/mol. Its IUPAC name is 4-ethenyl-6-(2-methylsulfanylpropan-2-yl)pyrimidine.

Molecular Properties

Compound Name4-ethenyl-6-(2-methylsulfanylpropan-2-yl)pyrimidine
PubChem CID167202885
Molecular FormulaC10H14N2S
Molecular Weight194.30 g/mol
Exact Mass194.09
IUPAC Name4-ethenyl-6-(2-methylsulfanylpropan-2-yl)pyrimidine
SMILESC=Cc1cc(C(C)(C)SC)ncn1
InChIInChI=1S/C10H14N2S/c1-5-8-6-9(12-7-11-8)10(2,3)13-4/h5-7H,1H2,2-4H3
InChIKeySUJSRJOSBHBDEH-UHFFFAOYSA-N
XLogP2.72
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-6-(2-methylsulfanylpropan-2-yl)pyrimidine?
The IUPAC name of 4-ethenyl-6-(2-methylsulfanylpropan-2-yl)pyrimidine (CID 167202885) is 4-ethenyl-6-(2-methylsulfanylpropan-2-yl)pyrimidine.
What is the SMILES notation for 4-ethenyl-6-(2-methylsulfanylpropan-2-yl)pyrimidine?
The canonical SMILES for 4-ethenyl-6-(2-methylsulfanylpropan-2-yl)pyrimidine is C=Cc1cc(C(C)(C)SC)ncn1.
What is the InChIKey of 4-ethenyl-6-(2-methylsulfanylpropan-2-yl)pyrimidine?
The InChIKey is SUJSRJOSBHBDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2S/c1-5-8-6-9(12-7-11-8)10(2,3)13-4/h5-7H,1H2,2-4H3.
What are the key properties of 4-ethenyl-6-(2-methylsulfanylpropan-2-yl)pyrimidine?
4-ethenyl-6-(2-methylsulfanylpropan-2-yl)pyrimidine has a molecular weight of 194.30 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-6-(2-methylsulfanylpropan-2-yl)pyrimidine is sourced from PubChem (CID 167202885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).